N-cyclopentyl-2-{[2-(2,3-dimethoxyphenyl)ethyl]amino}propanamide

• ChemBase ID: 709191
• Molecular Formular: C18H28N2O3
• Molecular Mass: 320.42652
• Monoisotopic Mass: 320.20999277
• SMILES: C(=O)(NC1CCCC1)C(NCCc1c(c(OC)ccc1)OC)C
• Canonical SMILES: COc1c(CCNC(C(=O)NC2CCCC2)C)cccc1OC
• InChI: InChI=1S/C18H28N2O3/c1-13(18(21)20-15-8-4-5-9-15)19-12-11-14-7-6-10-16(22-2)17(14)23-3/h6-7,10,13,15,19H,4-5,8-9,11-12H2,1-3H3,(H,20,21)
• InChIKey: RHDBOARNWCNDQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-{[2-(2,3-dimethoxyphenyl)ethyl]amino}propanamide
• IUPAC Traditional name: N-cyclopentyl-2-{[2-(2,3-dimethoxyphenyl)ethyl]amino}propanamide
• Synonyms: N-cyclopentyl-2-{[2-(2,3-dimethoxyphenyl)ethyl]amino}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.221947
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.5233671
• LogD (pH = 7.4): 1.1290083
• Log P: 2.3230963
• Molar Refractivity: 90.698 cm^3
• Polarizability: 35.709038 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.27
• LOG S: -3.48
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 8